4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole

C10H19NO — CID 71346652

IUPAC4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole
SMILESCCC(CC)C1=NC(C)(C)CO1
InChIInChI=1S/C10H19NO/c1-5-8(6-2)9-11-10(3,4)7-12-9/h8H,5-7H2,1-4H3
InChIKeyGYXFNPRSYGOSTE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.63
Rot. Bonds3

About 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole

4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole (PubChem CID 71346652) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole
PubChem CID71346652
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole
SMILESCCC(CC)C1=NC(C)(C)CO1
InChIInChI=1S/C10H19NO/c1-5-8(6-2)9-11-10(3,4)7-12-9/h8H,5-7H2,1-4H3
InChIKeyGYXFNPRSYGOSTE-UHFFFAOYSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole (CID 71346652) is 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole is CCC(CC)C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole?
The InChIKey is GYXFNPRSYGOSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(6-2)9-11-10(3,4)7-12-9/h8H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole?
4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-pentan-3-yl-5H-1,3-oxazole is sourced from PubChem (CID 71346652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).